BMRB Entry 17329
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17329
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: The Solution Structure of Calcium Bound CIB1 PubMed: 21388953
Deposition date: 2010-11-30 Original release date: 2011-03-30
Authors: Huang, Hao; Vogel, Hans; Ishida, Hiroaki; Yamniuk, Aaron
Citation: Huang, Hao; Ishida, Hiroaki; Yamniuk, Aaron; Vogel, Hans. "Solution Structures of Ca2+-CIB1 and Mg2+-CIB1 and Their Interactions with the Platelet Integrin {alpha}IIb Cytoplasmic Domain." J. Biol. Chem. 286, 17181-17192 (2011).
Assembly members:
CIB1, polymer, 214 residues, 21093.814 Da.
CA, non-polymer, 40.078 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
CIB1: MGHHHHHHHHHHSSGHIDDD
DKHMGGSGSRLSKELLAEYQ
DLTFLTKQEILLAHRRFCEL
LPQEQRSVESSLRAQVPFEQ
ILSLPELKANPFKERICRVF
STSPAKDSLSFEDFLDLLSV
FSDTATPDIKSHYAFRIFDF
DDDGTLNREDLSRLVNCLTG
EGEDTRLSASEMKQLIDNIL
EESDIDRDGTINLSEFQHVI
SRSPDFASSFKIVL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 603 |
| 15N chemical shifts | 162 |
| 1H chemical shifts | 390 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | CALCIUM ION 1 | 2 |
| 3 | CALCIUM ION 2 | 2 |
Entities:
Entity 1, entity_1 214 residues - 21093.814 Da.
| 1 | MET | GLY | HIS | HIS | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | HIS | HIS | SER | SER | GLY | HIS | ILE | ASP | ASP | ASP | ||||
| 3 | ASP | LYS | HIS | MET | GLY | GLY | SER | GLY | SER | ARG | ||||
| 4 | LEU | SER | LYS | GLU | LEU | LEU | ALA | GLU | TYR | GLN | ||||
| 5 | ASP | LEU | THR | PHE | LEU | THR | LYS | GLN | GLU | ILE | ||||
| 6 | LEU | LEU | ALA | HIS | ARG | ARG | PHE | CYS | GLU | LEU | ||||
| 7 | LEU | PRO | GLN | GLU | GLN | ARG | SER | VAL | GLU | SER | ||||
| 8 | SER | LEU | ARG | ALA | GLN | VAL | PRO | PHE | GLU | GLN | ||||
| 9 | ILE | LEU | SER | LEU | PRO | GLU | LEU | LYS | ALA | ASN | ||||
| 10 | PRO | PHE | LYS | GLU | ARG | ILE | CYS | ARG | VAL | PHE | ||||
| 11 | SER | THR | SER | PRO | ALA | LYS | ASP | SER | LEU | SER | ||||
| 12 | PHE | GLU | ASP | PHE | LEU | ASP | LEU | LEU | SER | VAL | ||||
| 13 | PHE | SER | ASP | THR | ALA | THR | PRO | ASP | ILE | LYS | ||||
| 14 | SER | HIS | TYR | ALA | PHE | ARG | ILE | PHE | ASP | PHE | ||||
| 15 | ASP | ASP | ASP | GLY | THR | LEU | ASN | ARG | GLU | ASP | ||||
| 16 | LEU | SER | ARG | LEU | VAL | ASN | CYS | LEU | THR | GLY | ||||
| 17 | GLU | GLY | GLU | ASP | THR | ARG | LEU | SER | ALA | SER | ||||
| 18 | GLU | MET | LYS | GLN | LEU | ILE | ASP | ASN | ILE | LEU | ||||
| 19 | GLU | GLU | SER | ASP | ILE | ASP | ARG | ASP | GLY | THR | ||||
| 20 | ILE | ASN | LEU | SER | GLU | PHE | GLN | HIS | VAL | ILE | ||||
| 21 | SER | ARG | SER | PRO | ASP | PHE | ALA | SER | SER | PHE | ||||
| 22 | LYS | ILE | VAL | LEU |
Entity 2, CALCIUM ION 1 - Ca - 40.078 Da.
| 1 | CA |
Samples:
CIB1_for_backbone_RDC: CIB1, [U-13C; U-15N; U-2H], 0.5 mM; HEPES 50 mM; potassium chloride 100 mM; calcium cloride 4 mM; DTT 10 mM; Pf1 phage 12 mg/mL; H2O 90%; D2O 10%
CIB1_with_I_L_V_methyl_labeled: CIB1, I/L/V methyl 13C and 1H, [U,2H], 0.5 mM; HEPES 50 mM; potassium chloride 100 mM; calcium chloride 4 mM; DTT 10 mM; H2O 90%; D2O 10%
CIB1_for_backbone_assignment: CIB1, [U-13C; U-15N; U-2H], 0.5 mM; HEPES 50 mM; potassium chloride 100 mM; calcium cloride 4 mM; DTT 10 mM; H2O 90%; D2O 10%
CIB1_for_methyl_assignment: CIB1, [U-13C; U-2H]-I/L/V methyl, 0.5 mM; HEPES 50 mM; potassium chloride 100 mM; calcium cloride 4 mM; DTT 10 mM; D2O 100%
sample_conditions_1: ionic strength: 200 mM; pH: 7.5; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC IPAP | CIB1_for_backbone_RDC | anisotropic | sample_conditions_1 |
| 3D HNCO type for CaCO and C | not available | 1 | not available |
| 1 | not available | 2 | not available |
| 1 | not available | 2 | not available |
| 1 | not available | 3 | not available |
| 1 | not available | 3 | not available |
| 1 | not available | 3 | not available |
| 1 | not available | 3 | not available |
| 1 | not available | 4 | not available |
| 1 | not available | not available | not available |
Software:
X-PLOR NIH v2.18, Schwieters, Kuszewski, Tjandra and Clore - structure solution
NMR spectrometers:
- Bruker Avance 700 MHz
Related Database Links:
| BMRB | 17328 18099 |
| PDB | |
| DBJ | BAA36281 BAG70090 BAG70220 BAG72967 |
| EMBL | CAG33236 |
| GB | AAB39758 AAB53387 AAC51106 AAH00846 ABM82122 |
| REF | NP_006375 XP_001096008 XP_003268547 XP_003807774 XP_003901434 |
| SP | Q99828 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts